Materials Data on WBr4O by Materials Project

doi:10.17188/1206295

Title: Materials Data on WBr4O by Materials Project

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Abstract

WOBr4 crystallizes in the tetragonal I4 space group. The structure is one-dimensional and consists of two WOBr4 ribbons oriented in the (0, 0, 1) direction. W6+ is bonded to two equivalent O2- and four equivalent Br1- atoms to form distorted corner-sharing WBr4O2 octahedra. The corner-sharing octahedral tilt angles are 0°. There is one shorter (1.90 Å) and one longer (1.95 Å) W–O bond length. All W–Br bond lengths are 2.50 Å. O2- is bonded in a linear geometry to two equivalent W6+ atoms. Br1- is bonded in a single-bond geometry to one W6+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-17

Other Number(s):: mp-32536

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; WBr4O; Br-O-W

OSTI Identifier:: 1206295

DOI:: https://doi.org/10.17188/1206295

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                    The Materials Project. Materials Data on WBr4O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206295.

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                    The Materials Project. Materials Data on WBr4O by Materials Project.  United States.  doi:https://doi.org/10.17188/1206295

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                    The Materials Project. 2020.  
"Materials Data on WBr4O by Materials Project".  United States.  doi:https://doi.org/10.17188/1206295.  https://www.osti.gov/servlets/purl/1206295. Pub date:Fri Jul 17 00:00:00 EDT 2020

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@article{osti_1206295,

  title        = {Materials Data on WBr4O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {WOBr4 crystallizes in the tetragonal I4 space group. The structure is one-dimensional and consists of two WOBr4 ribbons oriented in the (0, 0, 1) direction. W6+ is bonded to two equivalent O2- and four equivalent Br1- atoms to form distorted corner-sharing WBr4O2 octahedra. The corner-sharing octahedral tilt angles are 0°. There is one shorter (1.90 Å) and one longer (1.95 Å) W–O bond length. All W–Br bond lengths are 2.50 Å. O2- is bonded in a linear geometry to two equivalent W6+ atoms. Br1- is bonded in a single-bond geometry to one W6+ atom.},

  doi          = {10.17188/1206295},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1206295

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